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Key Documents

274100

Sigma-Aldrich

cis,cis-1,3-Cyclooctadiene

98%

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About This Item

Empirical Formula (Hill Notation):
C8H12
CAS Number:
Molecular Weight:
108.18
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Quality Level

assay

98%

form

liquid

refractive index

n20/D 1.493 (lit.)

bp

55 °C/34 mmHg (lit.)

mp

−53-−51 °C (lit.)

density

0.869 g/mL at 25 °C (lit.)

storage temp.

2-8°C

SMILES string

C1CCC=CC=CC1

InChI

1S/C8H12/c1-2-4-6-8-7-5-3-1/h1-4H,5-8H2/b3-1-,4-2-

InChI key

RRKODOZNUZCUBN-CCAGOZQPSA-N

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General description

The photosensitized cyclization of cis,cis-1,3-cyclooctadiene to bicyclo[4.2.0]oct-7-ene was studied. It proceeded by first isomerization of the diene to its cis, trans isomer followed by cyclization.

pictograms

FlameSkull and crossbones

signalword

Danger

Hazard Classifications

Acute Tox. 3 Oral - Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

3 - Flammable liquids

wgk_germany

WGK 3

flash_point_f

75.2 °F - closed cup

flash_point_c

24 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter


Certificates of Analysis (COA)

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Photosensitized isomerization of 1, 3-cyclooctadienes and conversion to bicyclo [4.2. 0] oct-7-ene.
Journal of the American Chemical Society, 89(1), 112-114 (1967)

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